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Relevant bibliographies by topics / Non-covalent interactions

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Academic literature on the topic 'Non-covalent interactions'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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Journal articles on the topic "Non-covalent interactions"

1

Alkorta, Ibon, and Sławomir J. Grabowski. "Non-covalent interactions." Computational and Theoretical Chemistry 998 (October 2012): 1. http://dx.doi.org/10.1016/j.comptc.2012.07.025.

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Schneider, Hans-J�rg. "EDITORIAL: NON-COVALENT INTERACTIONS." Journal of Physical Organic Chemistry 10, no. 5 (1997): 253. http://dx.doi.org/10.1002/(sici)1099-1395(199705)10:5<253::aid-poc1875>3.0.co;2-r.

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Novikov, Alexander S. "Non-Covalent Interactions in Polymers." Polymers 15, no. 5 (2023): 1139. http://dx.doi.org/10.3390/polym15051139.

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Non-covalent interactions are one of the key topics in modern chemical science. These inter- and intramolecular weak interactions (e.g., hydrogen, halogen, and chalcogen bonds, stacking interactions and metallophilic contacts) have a significant effect on the properties of polymers. In this Special Issue, “Non-covalent interactions in polymers”, we tried to collect fundamental and applied research manuscripts (original research articles and comprehensive review papers) focused on non-covalent interactions in polymer chemistry and related fields. The scope of the Special Issue is very broad: we

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Černý, Jiří, and Pavel Hobza. "Non-covalent interactions in biomacromolecules." Physical Chemistry Chemical Physics 9, no. 39 (2007): 5291. http://dx.doi.org/10.1039/b704781a.

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Novikov, Alexander S. "Non-Covalent Catalysts." Catalysts 13, no. 2 (2023): 339. http://dx.doi.org/10.3390/catal13020339.

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The elementary stages of chemical reactions (including catalytic ones) are caused by such weak inter- and intramolecular contacts as hydrogen, halogen, chalcogen, and tetrel bonds as well as stacking (and other π-system-involved) interactions [...]

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Majumdar, Dhrubajyoti, A. Frontera, Rosa M. Gomila, Sourav Das та Kalipada Bankura. "Synthesis, spectroscopic findings and crystal engineering of Pb(ii)–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation". RSC Advances 12, № 10 (2022): 6352–63. http://dx.doi.org/10.1039/d1ra09346k.

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We report σ-hole interaction/spodium/tetrel bonding and other non-covalent interactions in a heteronuclear Pb(ii)–Salen coordination polymer using DFT, HSA, QTAIM/NCI, and QTAIM/ELF plots. The non-covalent interactions predominantly drive the formation of extended architectures.

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Novikov, Alexander S. "Theoretical Investigation on Non-Covalent Interactions." Crystals 12, no. 2 (2022): 167. http://dx.doi.org/10.3390/cryst12020167.

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This editorial is dedicated to announcing the Special Issue “Theoretical investigation on non-covalent interactions” of Crystals. The Special Issue covers the most recent progress in the rapidly growing fields of data science, artificial intelligence, and quantum and computational chemistry in topics relevant to the problem of theoretical investigation on non-covalent interactions (including, but not limited to, hydrogen, halogen, chalcogen, pnictogen, tetrel, and semi-coordination bonds; agosic and anagosic interactions; stacking, anion-/cation–π interactions; metallophilic interactions, etc.

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Rehman, Sayeed Ur, Tarique Sarwar, Mohammed Amir Husain, Hassan Mubarak Ishqi, and Mohammad Tabish. "Studying non-covalent drug–DNA interactions." Archives of Biochemistry and Biophysics 576 (June 2015): 49–60. http://dx.doi.org/10.1016/j.abb.2015.03.024.

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Rinaudo, Marguerite. "Non-Covalent Interactions in Polysaccharide Systems." Macromolecular Bioscience 6, no. 8 (2006): 590–610. http://dx.doi.org/10.1002/mabi.200600053.

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Kubasov, Alexey S., and Varvara V. Avdeeva. "Non-Covalent Interactions in Coordination Chemistry." Inorganics 12, no. 3 (2024): 79. http://dx.doi.org/10.3390/inorganics12030079.

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Dissertations / Theses on the topic "Non-covalent interactions"

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Cockroft, Scott L. "Understanding non-covalent interactions." Thesis, University of Sheffield, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.434497.

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Yang, Lixu. "Non-covalent interactions in solution." Thesis, University of Edinburgh, 2013. http://hdl.handle.net/1842/8097.

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Non-covalent interactions taking place in solution are essential in chemical and biological systems. The solvent environment plays an important role in determining the geometry and stability of interactions. This thesis examines aromatic stacking interactions, alkyl-alkyl interactions, edge-to-face aromatic interactions, halogen bonds and hydrogen…hydrogen interactions in solution. Chapter 1 briefly introduces the different classes of non-covalent interactions, in addition to the state-of-the-art models and methods for investigating these weak interactions. The chapter finishes with a focus on

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Bayach, Imene. "Non-covalent interactions in natural products." Thesis, Limoges, 2014. http://www.theses.fr/2014LIMO0050/document.

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Les polyphénols naturels forment des complexes non-covalents dans lesquels le π-stacking et les liaisons hydrogène jouent un rôle clé dans la stabilisation. Les calculs DFT incluant la dispersion (DFT-D), la description des processus d'agrégation non-covalente de produits naturels devient fiable. Dans ce travail, les méthodes DFT-D sont appliquées à i) la compréhension de la biosynthèse stéréo- et régio-sélective des oligostilbenoïdes, ii) la prédiction de l'agrégation des antioxydants naturels au sein de la membrane bicouche lipidique, qui pourrait rationaliser la synergie de la vitamine E, l

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Hubbard, Thomas A. "Non-covalent interactions in lubricant chemistry." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/15935.

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Lubricant formulations are highly complex mixtures, containing a multitude of additives, each geared towards improving the efficiency of often highly specialised processes. The study of lubrication, or tribology, is a huge area of research, but is often overlooked by chemists in favour of pharmaceutical or agrochemical research. This thesis lays the foundation for the study and further understanding of additive-additive interactions in a lubricant formulation. Chapter one presents a concise introduction to modern lubricant formulations by providing a historical background and examining current

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SIRTORI, F. RICCARDI. "STUDY OF COVALENT AND NON COVALENT INTERACTIONS OF BIOPOLYMER BY MASS SPECTROMETRY." Doctoral thesis, Università degli Studi di Milano, 2010. http://hdl.handle.net/2434/150205.

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ESI-MS screening methods directly detect ligand-target non covalent complexes in the gas phase and allow inference of affinity (and specificity) of the ligand-target interaction in solution [1, 2]. The identity of different complexes can be directly assessed as the mass of each molecule works as intrinsic label. Biopolymers can be screened either as a single component or a mixture of different targets; in this way it is possible to determine the selectivity of a new chemical entity for different targets. On the other hand, using ESI-MS it is also possible to identify, within a mixture, compone

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Mati, Ioulia. "Molecular torsion balances for quantifying non-covalent interactions." Thesis, University of Edinburgh, 2013. http://hdl.handle.net/1842/7610.

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Non-covalent interactions underpin the whole of chemistry and biology, but their study is extremely difficult in complicated biological systems. This thesis presents the application of synthetic molecular balances for gaining fundamental insights into the physicochemical phenomena that govern molecular recognition processes. Chapter 1 reviews the use of small synthetic molecules that exist in two conformational states via slow rotation of a bond, in the quantification of non-covalent interactions. Chapter 2 presents a new molecular torsion balance, based on a slowly rotating tertiary formyl am

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Benevelli, Francesca. "Solid-state NMR characterisation of non-covalent interactions." Thesis, University of Cambridge, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.620286.

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Abuajwa, Wissam. "Non-covalent interactions of C60 fullerene and its derivatives." Thesis, University of Nottingham, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.588068.

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In this thesis, the design and synthesis of novel C60 fullerene compounds with different functional groups is reported. Chapter 1 introduces the background of the project with a general introduction into the covalent and non-covalent types of bonding interactions, and the chemistry and reactions of C60 fullerenes. Chapter 2 focuses on co-crystallisation of pristine C60 with selected aromatic compounds. Single crystals have been obtained and characterised by X-ray diffraction. Chapter 3 is concerned with the synthesis and characterisation of novel fullerene compounds by using Prato cycloadditio

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Adam, Catherine. "Molecular balances for measuring non-covalent interactions in solution." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/16466.

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Non-covalent interactions in solution are subject to modulation by surrounding solvent molecules. This thesis presents two experimental molecular balances that have been used to quantify solvent effects on non-covalent interactions, including electrostatic and dispersion interactions. The first chapter introduces literature where non-covalent interactions have been studied in a range of solvents, particularly those where the effects of aqueous or fluorous solvents have been investigated. These solvents are of particular interest as they both invoke solvophobic effects on organic molecules, but

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Gao, Yunyi. "Solution Behaviors of Macroions Driven by Non-covalent Interactions." University of Akron / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=akron1509897811144406.

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Books on the topic "Non-covalent interactions"

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Hobza, Pavel. Non-covalent interactions. Royal Society of Chemistry, 2009.

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Maharramov, Abel M., Kamran T. Mahmudov, Maximilian N. Kopylovich, and Armando J. L. Pombeiro, eds. Non-covalent Interactions in the Synthesis and Design of New Compounds. John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781119113874.

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Sinclair, Andrew Jamieson. Using non-covalent interaction to accelerate a [three plus two] dipolar cycloaddition reaction. University of Birmingham, 2000.

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Non-Covalent Interactions. Royal Society of Chemistry, 2009. http://dx.doi.org/10.1039/9781847559906.

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Karshikoff, Andrey. Non-Covalent Interactions in Proteins. WORLD SCIENTIFIC, 2021. http://dx.doi.org/10.1142/12035.

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Karshikoff, Andrey. Non-Covalent Interactions in Proteins. PUBLISHED BY IMPERIAL COLLEGE PRESS AND DISTRIBUTED BY WORLD SCIENTIFIC PUBLISHING CO., 2006. http://dx.doi.org/10.1142/p477.

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Barbier, Vincent, and Olivier R. P. David. Non-Covalent Interactions in Organocatalysis. Elsevier, 2018.

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Non-Covalent Interactions in Proteins. World Scientific Publishing Co Pte Ltd, 2021.

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Non-covalent Interactions in Proteins. Imperial College Press, 2006.

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Hobza, Pavel, Jonathan Hirst, Kenneth D. Jordan, Carmay Lim, and Klaus Muller-Dethlefs. Non-Covalent Interactions: Theory and Experiment. Royal Society of Chemistry, The, 2009.

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Book chapters on the topic "Non-covalent interactions"

1

Elstner, Marcus, Qiang Cui, and Maja Gruden. "Non-covalent Interactions." In Introduction to Statistical Thermodynamics. Springer International Publishing, 2024. http://dx.doi.org/10.1007/978-3-031-54994-6_22.

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Yon-Kahn, Jeannine, and Guy Hervé. "Regulation by Non-Covalent Interactions." In Molecular and Cellular Enzymology. Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-642-01228-0_14.

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Maharramov, Abel M., Kamran T. Mahmudov, Maximilian N. Kopylovich, M. Fátima C. Guedes da Silva, and Armando J. L. Pombeiro. "Activation of Covalent Bonds Through Non-covalent Interactions." In Non-covalent Interactions in the Synthesis and Design of New Compounds. John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781119113874.ch1.

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Hunter, Christopher. "Non-Covalent Interactions Between Aromatic Molecules." In From Simplicity to Complexity in Chemistry — and Beyond. Springer Berlin Heidelberg, 1996. http://dx.doi.org/10.1007/978-3-642-49368-3_9.

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D’Urso, Alessandro, Maria Elena Fragalà, and Roberto Purrello. "Non-Covalent Interactions of Porphyrinoids with Duplex DNA." In Topics in Heterocyclic Chemistry. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/7081_2013_113.

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Kataev, Evgeny A. "Non-covalent Interactions in the Synthesis of Macrocycles." In Non-covalent Interactions in the Synthesis and Design of New Compounds. John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781119113874.ch4.

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Sagan, Filip, and Mariusz P. Mitoraj. "Non-covalent Interactions in Selected Transition Metal Complexes." In Transition Metals in Coordination Environments. Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-11714-6_3.

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Aplin, Robin T., and Carol V. Robinson. "Electrospray Ionization Mass Spectrometry: The Observation of Covalent, Ionic and Non-Covalent Interactions." In Mass Spectrometry in the Biological Sciences. Humana Press, 1996. http://dx.doi.org/10.1007/978-1-4612-0229-5_4.

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Maharramov, Abel M., Kamran T. Mahmudov, Maximilian N. Kopylovich, Rafiga A. Aliyeva, and Armando J. L. Pombeiro. "Cooperation of Non-covalent Interactions and Coordination in Catalysis." In Non-covalent Interactions in the Synthesis and Design of New Compounds. John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781119113874.ch18.

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Amorati, Riccardo, and Luca Valgimigli. "Modulation of Biorelevant Radical Reactions by Non-covalent Interactions." In Non-covalent Interactions in the Synthesis and Design of New Compounds. John Wiley & Sons, Inc, 2016. http://dx.doi.org/10.1002/9781119113874.ch20.

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Conference papers on the topic "Non-covalent interactions"

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Púa, Lizeth Gutiérrez, Virginia Paredes Méndez, Ana María Fonseca Reyes, Juan Carlos Rincón Montenegro, and Lily Margareth Payares. "Enhanced Corrosion Resistance and Biocompatibility of Pure Magnesium Modified by Calcium Phosphate / Biomass of Chlorella Sp. Coating for Orthopedic Applications." In CONFERENCE 2022. AMPP, 2022. https://doi.org/10.5006/c2022-18513.

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Extended Abstract Biomedical metallic materials can be harmful to the human body in the long term due to the release and accumulation of metallic particles resulting from the degradation and corrosion of the material, a consequence of the wear suffered by the implant. Therefore, biodegradable materials have been studied that reduce the risk to health and the need for a second surgical intervention to remove the implant when the tissue is regenerated. Magnesium alloys are possible candidates as degradable biomaterials for temporary implants in various specialties such as traumatology, cardiolog

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Sanz, M., Jackson Tang, Elena Alonso, et al. "INTERMOLECULAR NON-COVALENT INTERACTIONS REVEALED BY BROADBAND ROTATIONAL SPECTROSCOPY." In 74th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2019. http://dx.doi.org/10.15278/isms.2019.tb01.

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Caminati, Walther, Emilio Cocinero, Alberto Lesarri, et al. "NON COVALENT INTERACTIONS AND INTERNAL DYNAMICS IN ADDUCTS OF FREONS." In 69th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.rj16.

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Foguel, Lidor, Patrick Vaccaro, and Zachary Vealey. "MICROSOLVATION AND THE EFFECTS OF NON-COVALENT INTERACTIONS ON INTRAMOLECULAR DYNAMICS." In 72nd International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.wd02.

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Choe, Junseok, Keonwoo Kim, Minjae Ju, Sumin Lee, and Jaewoo Kang. "Improved Binding Affinity Prediction Using Non-Covalent Interactions and Graph Integration." In 2022 IEEE International Conference on Big Data and Smart Computing (BigComp). IEEE, 2022. http://dx.doi.org/10.1109/bigcomp54360.2022.00079.

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Chepikova, O. E., A. I. Petushkova, I. V. Rodionov, N. V. Gorokhovets, A. A. Zamyatnin Jr, and L. V. Savvateeva. "KINETIC PARAMETERS DETERMINATION OF THE INTERACTIONS BETWEEN CYSTEINE CATHEPSINS AND PEPTIDE INHIBITORS." In X Международная конференция молодых ученых: биоинформатиков, биотехнологов, биофизиков, вирусологов и молекулярных биологов — 2023. Novosibirsk State University, 2023. http://dx.doi.org/10.25205/978-5-4437-1526-1-391.

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Excess of cysteine cathepsins activity in tumor microenvironment is caused by violation of their regulation mechanisms. Proteolytic enzymes can hydrolyze endogenous cathepsin inhibitors cystatins. In this study, the interactions between exogenous covalent or non-covalent peptide inhibitors with antitumor activity and recombinant human cysteine cathepsins S and L were studied.

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Melandri, Sonia, Laura Favero, Camilla Calabrese, et al. "TUNING OF NON-COVALENT INTERACTIONS IN MOLECULAR COMPLEXES OF FLUORINATED AROMATIC COMPOUNDS." In 73rd International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.wk08.

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Oliveira, Vytor, and Elfi Kraka. "The intrinsic strength of non-covalent interactions described by coupled cluster theory." In VII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Editora Letra1, 2018. http://dx.doi.org/10.21826/9788563800374068.

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Ma, Yingxian, Liqiang Huang, Zhi Zhu, Yurou Du, Jie Lai, and Jianchun Guo. "A Supramolecular Thickener Based on Non-Covalent Enhancement Mechanism." In SPE International Conference on Oilfield Chemistry. SPE, 2021. http://dx.doi.org/10.2118/204299-ms.

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Abstract Inspired by non-covalent enhancement mechanism, we introduced glycinamide-conjugated monomer (NAGA) with dual-amide in one side group to amplify the hydrogen bonding interactions. Via one-step free radical polymerization strategy, we prepared a type of supramolecular thickener based on binary polymer. With NMR, FT-IR and SEM results’ help, we determined that PNAGA-AM system had unique bis-amide structure of glycinamide-conjugated monomer. As a result, the synthesized polymer could generate a much denser structure based on the high-ordered multiple hydrogen bonding with lower molecular

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Rackers, Joshua. "What can machine learning teach us about the limits of electron correlation?." In Proposed for presentation at the Non-Covalent Interactions in Large Molecules and Extended Materials in ,. US DOE, 2021. http://dx.doi.org/10.2172/1884653.

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